CID 3038210

Brn 2768965

Structural Information

Molecular Formula
C17H28N2O3S
SMILES
CCN(CC)CCCNC(=S)C1=CC(=C(C(=C1)OC)OC)OC
InChI
InChI=1S/C17H28N2O3S/c1-6-19(7-2)10-8-9-18-17(23)13-11-14(20-3)16(22-5)15(12-13)21-4/h11-12H,6-10H2,1-5H3,(H,18,23)
InChIKey
NQAKYLBVCGQSAT-UHFFFAOYSA-N
Compound name
N-[3-(diethylamino)propyl]-3,4,5-trimethoxybenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.18207 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.18935 183.2
[M+Na]+ 363.17129 191.8
[M+NH4]+ 358.21589 189.4
[M+K]+ 379.14523 184.1
[M-H]- 339.17479 185.3
[M+Na-2H]- 361.15674 186.3
[M]+ 340.18152 185.2
[M]- 340.18262 185.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.